Geometry & MOs

Info

ID:	70716
PubChem CID:	48413767
Reduced:	ClO2N5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	49.36
Dipole, Da:	4.35
IP(EA), eV:	-9.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methylphenyl)methoxy]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations